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Dimethyl (2-{[6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}butan-2-yl)phosphonate
SpectraBase Compound ID D2aOnH7V3mJ
InChI InChI=1S/C11H17F6N4O4P/c1-5-8(2,26(23,24-3)25-4)19-6-18-7(22)21-9(20-6,10(12,13)14)11(15,16)17/h5H2,1-4H3,(H3,18,19,20,21,22)
InChIKey VFDIIVCPKAHAKQ-UHFFFAOYSA-N
Mol Weight 414.25 g/mol
Molecular Formula C11H17F6N4O4P
Exact Mass 414.089161 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ac5a6hXNNY8
Name 6-(ALPHA-DIMETHOXYPHOSPHORYL-SEC-BUTYLAMINO)-4,4-BIS(TRIFLUOROMETHYL)-3,4-DIHYDRO-1,3,5-TRIAZIN-2(1H)-ONE
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Formula C11H17F6N4O4P
InChI InChI=1S/C11H17F6N4O4P/c1-5-8(2,26(23,24-3)25-4)19-6-18-7(22)21-9(20-6,10(12,13)14)11(15,16)17/h5H2,1-4H3,(H3,18,19,20,21,22)
InChIKey VFDIIVCPKAHAKQ-UHFFFAOYSA-N
Instrument Name Bruker CXP-200
Literature Reference I.V.MARTYNOV, A.YU.AKSINENKO, A.N.CHEKHLOV, O.V.KORENCHENKO, I.N.TORGUN,V.B.SOKOLOV (1989) Zhurn.Obsch.Khim.(Russ. Lang.): v.59, N6, 1397-1400.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo